2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide

C19H32N4OS — CID 111957871

IUPAC2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\Cc1ccc(CC)s1)NCCNC(=O)CC1CCCC1
InChIInChI=1S/C19H32N4OS/c1-3-16-9-10-17(25-16)14-23-19(20-4-2)22-12-11-21-18(24)13-15-7-5-6-8-15/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyGEZACJGIHLZNJP-UHFFFAOYSA-N
MW364.56 g/mol
LogP3.06
Rot. Bonds9

About 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide

2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide (PubChem CID 111957871) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
PubChem CID111957871
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\Cc1ccc(CC)s1)NCCNC(=O)CC1CCCC1
InChIInChI=1S/C19H32N4OS/c1-3-16-9-10-17(25-16)14-23-19(20-4-2)22-12-11-21-18(24)13-15-7-5-6-8-15/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24)(H2,20,22,23)
InChIKeyGEZACJGIHLZNJP-UHFFFAOYSA-N
XLogP3.06
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-N-[2-[[N-ethyl-N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111898944
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide
CID 111956547
N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]-2,2-dimethylpropanamide;hydroiodide
CID 111956768
2-cyclohexyl-N-[2-[[N-ethyl-N'-[(3-methylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111893672
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]ethyl]acetamide
CID 111351178
2-cyclopentyl-N-[2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]acetamide
CID 111901973
methyl 3-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]propanoate
CID 111956995
2-cyclopentyl-N-[2-[[N-ethyl-N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 110941327
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111391466
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclohexylacetamide
CID 111150491
N-[2-[(N'-butyl-N-ethylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111152339
2-cyclohexyl-N-[2-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111179117

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide (CID 111957871) is 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\Cc1ccc(CC)s1)NCCNC(=O)CC1CCCC1.
What is the InChIKey of 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is GEZACJGIHLZNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-3-16-9-10-17(25-16)14-23-19(20-4-2)22-12-11-21-18(24)13-15-7-5-6-8-15/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24)(H2,20,22,23).
What are the key properties of 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide?
2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 364.56 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[[N-ethyl-N'-[(5-ethylthiophen-2-yl)methyl]carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 111957871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).